SCHEMBL2645883

SCHEMBL2645883

CC(C)(C)C(=O)Nc1cccc(-n2cnc3c([N+](=O)[O-])cccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
FGFR1 P11362 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
JAK2 O60674 1/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
AR P10275 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2646728 0.75 FGFR1 (0.69) KDM4EFGFR1ALDH1A1HPGDMEN1
SCHEMBL2646166 0.74 FGFR1 (0.50) FGFR1ALDH1A1HPGDMAPTHTT
SCHEMBL2646173 0.74 FGFR1 (0.50) KDM4EFGFR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3205682 0.70 SMN1; SMN2 (0.69) NPSR1SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL7472806 0.70 PDE10A (0.45) KDM4ENPSR1FGFR1SMN1; SMN2ALDH1A1
SCHEMBL2951988 0.69 PDE10A (0.47) KDM4ENPSR1FGFR1SMN1; SMN2ALDH1A1
Potassium Ion SCHEMBL6012184 0.68 L3MBTL1 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL2860553 0.68 MET (0.40) KDM4ENPSR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL7984035 0.68 L3MBTL1 (0.78) KDM4ENPSR1SMN1; SMN2L3MBTL1HTT
SCHEMBL3044360 0.67 L3MBTL1 (0.55) KDM4ENPSR1SMN1; SMN2ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed